methyl (E)-4-[(2-azanyl-5-nitro-phenyl)amino]-4-sulfanylidene-but-2-enoate

Systemtic Name: methyl (E)-4-[(2-azanyl-5-nitro-phenyl)amino]-4-sulfanylidene-but-2-enoate Openeye Name: methyl (E)-4-(2-amino-5-nitro-anilino)-4-thioxo-but-2-enoate CAS Name: (E)-4-(2-amino-5-nitroanilino)-4-sulfanylidene-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-amino-5-nitroanilino)-4-sulfanylidenebut-2-enoate Traditional Name: (E)-4-(2-amino-5-nitro-anilino)-4-thioxo-but-2-enoic acid methyl ester Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)/C=C/C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N

InChI

InChI=1S/C11H11N3O4S/c1-18-11(15)5-4-10(19)13-9-6-7(14(16)17)2-3-8(9)12/h2-6H,12H2,1H3,(H,13,19)/b5-4+