(phenylmethyl) 5-[1-(3-nitrophenyl)carbonylindol-3-yl]pentanoate

Systemtic Name: (phenylmethyl) 5-[1-(3-nitrophenyl)carbonylindol-3-yl]pentanoate Openeye Name: benzyl 5-[1-(3-nitrobenzoyl)indol-3-yl]pentanoate CAS Name: 5-[1-[(3-nitrophenyl)-oxomethyl]-3-indolyl]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[1-(3-nitrobenzoyl)indol-3-yl]pentanoate Traditional Name: 5-[1-(3-nitrobenzoyl)indol-3-yl]valeric acid benzyl ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCCC2=CN(C3=CC=CC=C32)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCCC2=CN(C3=CC=CC=C32)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O5/c30-26(34-19-20-9-2-1-3-10-20)16-7-4-11-22-18-28(25-15-6-5-14-24(22)25)27(31)21-12-8-13-23(17-21)29(32)33/h1-3,5-6,8-10,12-15,17-18H,4,7,11,16,19H2