[5-nitro-1-(phenylmethyl)indol-3-yl]methyl 4-methylbenzoate

Systemtic Name: [5-nitro-1-(phenylmethyl)indol-3-yl]methyl 4-methylbenzoate Openeye Name: (1-benzyl-5-nitro-indol-3-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-nitro-1-(phenylmethyl)-3-indolyl]methyl ester IUPAC Name: (1-benzyl-5-nitroindol-3-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (1-benzyl-5-nitro-indol-3-yl)methyl ester Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O4/c1-17-7-9-19(10-8-17)24(27)30-16-20-15-25(14-18-5-3-2-4-6-18)23-12-11-21(26(28)29)13-22(20)23/h2-13,15H,14,16H2,1H3