(phenylmethyl) 4-[3-[(3-nitrophenyl)methyl]indol-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-[3-[(3-nitrophenyl)methyl]indol-1-yl]-4-oxidanylidene-butanoate Openeye Name: benzyl 4-[3-[(3-nitrophenyl)methyl]indol-1-yl]-4-oxo-butanoate CAS Name: 4-[3-[(3-nitrophenyl)methyl]-1-indolyl]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[(3-nitrophenyl)methyl]indol-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-(3-nitrobenzyl)indol-1-yl]butyric acid benzyl ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(=O)N2C=C(C3=CC=CC=C32)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(=O)N2C=C(C3=CC=CC=C32)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N2O5/c29-25(13-14-26(30)33-18-19-7-2-1-3-8-19)27-17-21(23-11-4-5-12-24(23)27)15-20-9-6-10-22(16-20)28(31)32/h1-12,16-17H,13-15,18H2