[7-chloranyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [7-chloranyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [7-chloro-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [7-chloro-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] ester IUPAC Name: [7-chloro-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [7-chloro-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester Formula: C28H27Cl2N3O6 MolecularWeight: 572.43648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(CC(C(C1=O)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC)C=C(C=C2)Cl

Isomeric SMILES

CN(C)CCN1C2=C(CC(C(C1=O)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC)C=C(C=C2)Cl

InChI

InChI=1S/C28H27Cl2N3O6/c1-31(2)12-13-32-25-11-6-19(29)14-18(25)15-23(17-4-8-21(38-3)9-5-17)26(27(32)34)39-28(35)22-10-7-20(33(36)37)16-24(22)30/h4-11,14,16,23,26H,12-13,15H2,1-3H3