methyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]-2-(5-nitropyridin-2-yl)ethanoate

Systemtic Name: methyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]-2-(5-nitropyridin-2-yl)ethanoate Openeye Name: methyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]-2-(5-nitro-2-pyridyl)acetate CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]-2-(5-nitro-2-pyridinyl)acetic acid methyl ester IUPAC Name: methyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]-2-(5-nitropyridin-2-yl)acetate Traditional Name: 2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)-2-(5-nitro-2-pyridyl)acetic acid methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)C(C3=NC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)C(C3=NC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H19N3O5/c1-13-4-6-14(7-5-13)20(25)18-11-10-17(23(18)2)19(21(26)29-3)16-9-8-15(12-22-16)24(27)28/h4-12,19H,1-3H3