3-chloranyl-N-[(E)-[4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide

Systemtic Name: 3-chloranyl-N-[(E)-[4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide Openeye Name: 3-chloro-N-[(E)-[1-methyl-3-(2-methyl-5-nitro-anilino)-3-oxo-propylidene]amino]-4-nitro-benzamide CAS Name: 3-chloro-N-[(E)-[4-(2-methyl-5-nitroanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide IUPAC Name: 3-chloro-N-[(E)-[4-(2-methyl-5-nitroanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide Traditional Name: 3-chloro-N-[(E)-[3-keto-1-methyl-3-(2-methyl-5-nitro-anilino)propylidene]amino]-4-nitro-benzamide Formula: C18H16ClN5O6 MolecularWeight: 433.80254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(=NNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C/C(=N/NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)/C

InChI

InChI=1S/C18H16ClN5O6/c1-10-3-5-13(23(27)28)9-15(10)20-17(25)7-11(2)21-22-18(26)12-4-6-16(24(29)30)14(19)8-12/h3-6,8-9H,7H2,1-2H3,(H,20,25)(H,22,26)/b21-11+