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

Systemtic Name: 3-chloranyl-N-[(E)-[4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide Openeye Name: 3-chloro-N-[(E)-[3-(3-methoxyanilino)-1-methyl-3-oxo-propylidene]amino]-4-nitro-benzamide CAS Name: 3-chloro-N-[(E)-[4-(3-methoxyanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide IUPAC Name: 3-chloro-N-[(E)-[4-(3-methoxyanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide Traditional Name: 3-chloro-N-[(E)-[3-keto-3-(m-anisidino)-1-methyl-propylidene]amino]-4-nitro-benzamide Formula: C18H17ClN4O5 MolecularWeight: 404.80438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC(=CC=C2)OC

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C18H17ClN4O5/c1-11(8-17(24)20-13-4-3-5-14(10-13)28-2)21-22-18(25)12-6-7-16(23(26)27)15(19)9-12/h3-7,9-10H,8H2,1-2H3,(H,20,24)(H,22,25)/b21-11+