[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S/c1-9(13(19)17-14-10(8-16)6-7-24-14)23-15(20)11-4-2-3-5-12(11)18(21)22/h2-7,9H,1H3,(H,17,19)