N-[(E)-[4-[(4-fluorophenyl)methylamino]-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide

Systemtic Name: N-[(E)-[4-[(4-fluorophenyl)methylamino]-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide Openeye Name: N-[(E)-[3-[(4-fluorophenyl)methylamino]-1-methyl-3-oxo-propylidene]amino]-4-nitro-benzamide CAS Name: N-[(E)-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide IUPAC Name: N-[(E)-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide Traditional Name: N-[(E)-[3-[(4-fluorobenzyl)amino]-3-keto-1-methyl-propylidene]amino]-4-nitro-benzamide Formula: C18H17FN4O4 MolecularWeight: 372.350383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O4/c1-12(10-17(24)20-11-13-2-6-15(19)7-3-13)21-22-18(25)14-4-8-16(9-5-14)23(26)27/h2-9H,10-11H2,1H3,(H,20,24)(H,22,25)/b21-12+