methyl 5-nitro-6-[2-(phenylcarbamoylamino)phenyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-nitro-6-[2-(phenylcarbamoylamino)phenyl]sulfanyl-pyridine-3-carboxylate Openeye Name: methyl 5-nitro-6-[2-(phenylcarbamoylamino)phenyl]sulfanyl-pyridine-3-carboxylate CAS Name: 6-[[2-[[anilino(oxo)methyl]amino]phenyl]thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-6-[2-(phenylcarbamoylamino)phenyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-nitro-6-[[2-(phenylcarbamoylamino)phenyl]thio]nicotinic acid methyl ester Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)SC2=CC=CC=C2NC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)SC2=CC=CC=C2NC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S/c1-29-19(25)13-11-16(24(27)28)18(21-12-13)30-17-10-6-5-9-15(17)23-20(26)22-14-7-3-2-4-8-14/h2-12H,1H3,(H2,22,23,26)