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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H17ClN4O4/c1-12(9-17(24)20-11-13-5-3-2-4-6-13)21-22-18(25)14-7-8-16(23(26)27)15(19)10-14/h2-8,10H,9,11H2,1H3,(H,20,24)(H,22,25)/b21-12+