(phenylmethyl) 4-[5-chloranyl-1-(3-nitrophenyl)carbonyl-indol-3-yl]butanoate

Systemtic Name: (phenylmethyl) 4-[5-chloranyl-1-(3-nitrophenyl)carbonyl-indol-3-yl]butanoate Openeye Name: benzyl 4-[5-chloro-1-(3-nitrobenzoyl)indol-3-yl]butanoate CAS Name: 4-[5-chloro-1-[(3-nitrophenyl)-oxomethyl]-3-indolyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-chloro-1-(3-nitrobenzoyl)indol-3-yl]butanoate Traditional Name: 4-[5-chloro-1-(3-nitrobenzoyl)indol-3-yl]butyric acid benzyl ester Formula: C26H21ClN2O5 MolecularWeight: 476.90834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC2=CN(C3=C2C=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC2=CN(C3=C2C=C(C=C3)Cl)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21ClN2O5/c27-21-12-13-24-23(15-21)20(9-5-11-25(30)34-17-18-6-2-1-3-7-18)16-28(24)26(31)19-8-4-10-22(14-19)29(32)33/h1-4,6-8,10,12-16H,5,9,11,17H2