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

Systemtic Name: methyl 3-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(5-methyl-1H-indol-3-yl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(5-methyl-1H-indol-3-yl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N3O5/c1-12-3-4-18-17(7-12)13(11-22-18)5-6-21-19(24)14-8-15(20(25)28-2)10-16(9-14)23(26)27/h3-4,7-11,22H,5-6H2,1-2H3,(H,21,24)