[9-(3-azanyl-2-methyl-butan-2-yl)-6-propoxy-1,2,3,4-tetrahydrocarbazol-3-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [9-(3-azanyl-2-methyl-butan-2-yl)-6-propoxy-1,2,3,4-tetrahydrocarbazol-3-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [9-(2-amino-1,1-dimethyl-propyl)-6-propoxy-1,2,3,4-tetrahydrocarbazol-3-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [9-(3-amino-2-methylbutan-2-yl)-6-propoxy-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [9-(3-amino-2-methylbutan-2-yl)-6-propoxy-1,2,3,4-tetrahydrocarbazol-3-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [9-(2-amino-1,1-dimethyl-propyl)-6-propoxy-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C27H32ClN3O5 MolecularWeight: 514.01308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C3=C2CC(CC3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C(C)(C)C(C)N

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N(C3=C2CC(CC3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)C(C)(C)C(C)N

InChI

InChI=1S/C27H32ClN3O5/c1-5-12-35-18-7-10-24-21(14-18)22-15-19(8-11-25(22)30(24)27(3,4)16(2)29)36-26(32)20-9-6-17(31(33)34)13-23(20)28/h6-7,9-10,13-14,16,19H,5,8,11-12,15,29H2,1-4H3