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

Systemtic Name: [5-nitro-1-(phenylmethyl)indol-3-yl]methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (1-benzyl-5-nitro-indol-3-yl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [5-nitro-1-(phenylmethyl)-3-indolyl]methyl ester IUPAC Name: (1-benzyl-5-nitroindol-3-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (1-benzyl-5-nitro-indol-3-yl)methyl ester Formula: C23H16ClN3O6 MolecularWeight: 465.84264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])COC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])COC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O6/c24-20-8-6-16(10-22(20)27(31)32)23(28)33-14-17-13-25(12-15-4-2-1-3-5-15)21-9-7-18(26(29)30)11-19(17)21/h1-11,13H,12,14H2