methyl (Z)-3-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-4-(propan-2-ylamino)but-2-enoate

Systemtic Name: methyl (Z)-3-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-4-(propan-2-ylamino)but-2-enoate Openeye Name: methyl (Z)-4-(isopropylamino)-3-(2-methyl-5-nitro-anilino)-4-oxo-but-2-enoate CAS Name: (Z)-3-(2-methyl-5-nitroanilino)-4-oxo-4-(propan-2-ylamino)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(2-methyl-5-nitroanilino)-4-oxo-4-(propan-2-ylamino)but-2-enoate Traditional Name: (Z)-4-(isopropylamino)-4-keto-3-(2-methyl-5-nitro-anilino)but-2-enoic acid methyl ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=CC(=O)OC)C(=O)NC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N/C(=C\C(=O)OC)/C(=O)NC(C)C

InChI

InChI=1S/C15H19N3O5/c1-9(2)16-15(20)13(8-14(19)23-4)17-12-7-11(18(21)22)6-5-10(12)3/h5-9,17H,1-4H3,(H,16,20)/b13-8-