3-chloranyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide

Systemtic Name: 3-chloranyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide Openeye Name: 3-chloro-N-[(E)-[1-methyl-3-(1-naphthylamino)-3-oxo-propylidene]amino]-4-nitro-benzamide CAS Name: 3-chloro-N-[(E)-[4-(1-naphthalenylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide IUPAC Name: 3-chloro-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide Traditional Name: 3-chloro-N-[(E)-[3-keto-1-methyl-3-(1-naphthylamino)propylidene]amino]-4-nitro-benzamide Formula: C21H17ClN4O4 MolecularWeight: 424.83708

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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=CC3=CC=CC=C32

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H17ClN4O4/c1-13(24-25-21(28)15-9-10-19(26(29)30)17(22)12-15)11-20(27)23-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,12H,11H2,1H3,(H,23,27)(H,25,28)/b24-13+