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

Systemtic Name: 3-chloranyl-N-[(E)-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide Openeye Name: 3-chloro-N-[(E)-[1-methyl-3-(3-methylanilino)-3-oxo-propylidene]amino]-4-nitro-benzamide CAS Name: 3-chloro-N-[(E)-[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide IUPAC Name: 3-chloro-N-[(E)-[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide Traditional Name: 3-chloro-N-[(E)-[3-keto-1-methyl-3-(m-toluidino)propylidene]amino]-4-nitro-benzamide Formula: C18H17ClN4O4 MolecularWeight: 388.80498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4/c1-11-4-3-5-14(8-11)20-17(24)9-12(2)21-22-18(25)13-6-7-16(23(26)27)15(19)10-13/h3-8,10H,9H2,1-2H3,(H,20,24)(H,22,25)/b21-12+