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

Systemtic Name: 3-chloranyl-4-nitro-N-[(E)-[4-oxidanylidene-4-(pyridin-3-ylamino)butan-2-ylidene]amino]benzamide Openeye Name: 3-chloro-N-[(E)-[1-methyl-3-oxo-3-(3-pyridylamino)propylidene]amino]-4-nitro-benzamide CAS Name: 3-chloro-4-nitro-N-[(E)-[4-oxo-4-(3-pyridinylamino)butan-2-ylidene]amino]benzamide IUPAC Name: 3-chloro-4-nitro-N-[(E)-[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]benzamide Traditional Name: 3-chloro-N-[(E)-[3-keto-1-methyl-3-(3-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=CC(=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CN=CC=C2

Isomeric SMILES

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

InChI

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