methyl 3-[2-(5-chloranyl-1H-indol-3-yl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(5-chloranyl-1H-indol-3-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(5-chloro-1H-indol-3-yl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CNC3=C2C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CNC3=C2C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O5/c1-28-19(25)13-6-12(7-15(8-13)23(26)27)18(24)21-5-4-11-10-22-17-3-2-14(20)9-16(11)17/h2-3,6-10,22H,4-5H2,1H3,(H,21,24)