methyl 2-[4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(4-methyl-1,4-diazepan-1-yl)-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-methyl-1,4-diazepan-1-yl)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(4-methyl-1,4-diazepan-1-yl)-3-nitro-benzoyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-22-10-5-11-23(13-12-22)18-9-8-15(14-19(18)24(27)28)20(25)16-6-3-4-7-17(16)21(26)29-2/h3-4,6-9,14H,5,10-13H2,1-2H3