N-[(E)-[4-(4-methanoylpiperazin-1-yl)-4-oxidanylidene-butan-2-ylidene]amino]-3-nitro-benzamide

Systemtic Name: N-[(E)-[4-(4-methanoylpiperazin-1-yl)-4-oxidanylidene-butan-2-ylidene]amino]-3-nitro-benzamide Openeye Name: N-[(E)-[3-(4-formylpiperazin-1-yl)-1-methyl-3-oxo-propylidene]amino]-3-nitro-benzamide CAS Name: N-[(E)-[4-(4-formyl-1-piperazinyl)-4-oxobutan-2-ylidene]amino]-3-nitrobenzamide IUPAC Name: N-[(E)-[4-(4-formylpiperazin-1-yl)-4-oxobutan-2-ylidene]amino]-3-nitrobenzamide Traditional Name: N-[(E)-[3-(4-formylpiperazino)-3-keto-1-methyl-propylidene]amino]-3-nitro-benzamide Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])CC(=O)N2CCN(CC2)C=O

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/CC(=O)N2CCN(CC2)C=O

InChI

InChI=1S/C16H19N5O5/c1-12(9-15(23)20-7-5-19(11-22)6-8-20)17-18-16(24)13-3-2-4-14(10-13)21(25)26/h2-4,10-11H,5-9H2,1H3,(H,18,24)/b17-12+