methyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-azanylidene-6-nitro-chromen-3-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-imino-6-nitro-1-benzopyran-3-yl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-imino-6-nitrochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-imino-6-nitro-chromene-3-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N)C(=O)OC

InChI

InChI=1S/C18H15N3O6S/c1-3-11-8-13(18(23)26-2)17(28-11)20-16(22)12-7-9-6-10(21(24)25)4-5-14(9)27-15(12)19/h4-8,19H,3H2,1-2H3,(H,20,22)