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

Systemtic Name: 2-chloranyl-4-nitro-N-[(E)-[4-oxidanylidene-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide Openeye Name: 2-chloro-N-[(E)-[1-methyl-3-oxo-3-(2-pyridylamino)propylidene]amino]-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[(E)-[4-oxo-4-(2-pyridinylamino)butan-2-ylidene]amino]benzamide IUPAC Name: 2-chloro-4-nitro-N-[(E)-[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide Traditional Name: 2-chloro-N-[(E)-[3-keto-1-methyl-3-(2-pyridylamino)propylidene]amino]-4-nitro-benzamide Formula: C16H14ClN5O4 MolecularWeight: 375.76646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=CC=N2

Isomeric SMILES

C/C(=N\NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NC2=CC=CC=N2

InChI

InChI=1S/C16H14ClN5O4/c1-10(8-15(23)19-14-4-2-3-7-18-14)20-21-16(24)12-6-5-11(22(25)26)9-13(12)17/h2-7,9H,8H2,1H3,(H,21,24)(H,18,19,23)/b20-10+