4-methyl-2-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate

Systemtic Name: 4-methyl-2-[[(Z)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate Openeye Name: 4-methyl-2-[[(Z)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(Z)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-5-(1-phenylethyl)-3-thiophenecarboxylate IUPAC Name: 4-methyl-2-[[(Z)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate Traditional Name: 2-[[(Z)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-methyl-5-(1-phenylethyl)-3-thenoate Formula: C21H17N2O5S- MolecularWeight: 409.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)[O-])NC=C2C=C(C=CC2=O)[N+](=O)[O-])C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)[O-])N/C=C\2/C=C(C=CC2=O)[N+](=O)[O-])C(C)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-12(14-6-4-3-5-7-14)19-13(2)18(21(25)26)20(29-19)22-11-15-10-16(23(27)28)8-9-17(15)24/h3-12,22H,1-2H3,(H,25,26)/p-1/b15-11-