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

Systemtic Name: 3-chloranyl-4-nitro-N-[(E)-[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]benzamide Openeye Name: 3-chloro-N-[(E)-[1-methyl-3-(3-nitroanilino)-3-oxo-propylidene]amino]-4-nitro-benzamide CAS Name: 3-chloro-4-nitro-N-[(E)-[4-(3-nitroanilino)-4-oxobutan-2-ylidene]amino]benzamide IUPAC Name: 3-chloro-4-nitro-N-[(E)-[4-(3-nitroanilino)-4-oxobutan-2-ylidene]amino]benzamide Traditional Name: 3-chloro-N-[(E)-[3-keto-1-methyl-3-(3-nitroanilino)propylidene]amino]-4-nitro-benzamide Formula: C17H14ClN5O6 MolecularWeight: 419.77596

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O6/c1-10(7-16(24)19-12-3-2-4-13(9-12)22(26)27)20-21-17(25)11-5-6-15(23(28)29)14(18)8-11/h2-6,8-9H,7H2,1H3,(H,19,24)(H,21,25)/b20-10+