ethyl 2-azanyl-5-[(E)-N-[(3,5-dinitrophenyl)carbonylamino]-C-methyl-carbonimidoyl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-[(E)-N-[(3,5-dinitrophenyl)carbonylamino]-C-methyl-carbonimidoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-[(E)-N-[(3,5-dinitrobenzoyl)amino]-C-methyl-carbonimidoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-amino-5-[(1E)-1-[[(3,5-dinitrophenyl)-oxomethyl]hydrazinylidene]ethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-[(E)-N-[(3,5-dinitrobenzoyl)amino]-C-methylcarbonimidoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-amino-5-[(E)-N-[(3,5-dinitrobenzoyl)amino]-C-methyl-carbonimidoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17N5O7S MolecularWeight: 435.41118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)/C(=N/NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])/C)N

InChI

InChI=1S/C17H17N5O7S/c1-4-29-17(24)13-8(2)14(30-15(13)18)9(3)19-20-16(23)10-5-11(21(25)26)7-12(6-10)22(27)28/h5-7H,4,18H2,1-3H3,(H,20,23)/b19-9+