(2-oxidanylidene-1,2-diphenyl-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid desyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O5/c30-25(20-11-5-3-6-12-20)26(21-13-7-4-8-14-21)34-27(31)22-15-16-23(24(19-22)29(32)33)28-17-9-1-2-10-18-28/h3-8,11-16,19,26H,1-2,9-10,17-18H2