[(E)-(1-azanyl-2-thiophen-2-yl-ethylidene)amino] 4-methyl-3-nitro-benzoate

Systemtic Name: [(E)-(1-azanyl-2-thiophen-2-yl-ethylidene)amino] 4-methyl-3-nitro-benzoate Openeye Name: [(E)-[1-amino-2-(2-thienyl)ethylidene]amino] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] ester IUPAC Name: [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(E)-[1-amino-2-(2-thienyl)ethylidene]amino] ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)ON=C(CC2=CC=CS2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O/N=C(\CC2=CC=CS2)/N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c1-9-4-5-10(7-12(9)17(19)20)14(18)21-16-13(15)8-11-3-2-6-22-11/h2-7H,8H2,1H3,(H2,15,16)