[2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-(6-methoxy-2-naphthyl)-2-oxo-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-(6-methoxy-2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-keto-2-(6-methoxy-2-naphthyl)ethyl] ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O6/c1-33-22-10-8-18-14-20(7-6-19(18)15-22)25(29)17-34-26(30)21-9-11-23(24(16-21)28(31)32)27-12-4-2-3-5-13-27/h6-11,14-16H,2-5,12-13,17H2,1H3