methyl 2-[(11-methanoyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl-propanoyl-amino]-3-nitro-benzoate

Systemtic Name: methyl 2-[(11-methanoyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl-propanoyl-amino]-3-nitro-benzoate Openeye Name: methyl 2-[(11-formyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl-propanoyl-amino]-3-nitro-benzoate CAS Name: 2-[(11-formyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl-(1-oxopropyl)amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(11-formyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl-propanoylamino]-3-nitrobenzoate Traditional Name: 2-[(11-formyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl-propionyl-amino]-3-nitro-benzoic acid methyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC2=C(C=C1)N(C3=CC=CC=C3CC2)C=O)C4=C(C=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC(=O)N(CC1=CC2=C(C=C1)N(C3=CC=CC=C3CC2)C=O)C4=C(C=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H25N3O6/c1-3-25(32)28(26-21(27(33)36-2)8-6-10-24(26)30(34)35)16-18-11-14-23-20(15-18)13-12-19-7-4-5-9-22(19)29(23)17-31/h4-11,14-15,17H,3,12-13,16H2,1-2H3