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

Systemtic Name: N-[(E)-[4-[(4-aminocarbonylphenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[(E)-[3-(4-carbamoylanilino)-1-methyl-3-oxo-propylidene]amino]-2-chloro-4-nitro-benzamide CAS Name: N-[(E)-[4-(4-carbamoylanilino)-4-oxobutan-2-ylidene]amino]-2-chloro-4-nitrobenzamide IUPAC Name: N-[(E)-[4-(4-carbamoylanilino)-4-oxobutan-2-ylidene]amino]-2-chloro-4-nitrobenzamide Traditional Name: N-[(E)-[3-(4-carbamoylanilino)-3-keto-1-methyl-propylidene]amino]-2-chloro-4-nitro-benzamide Formula: C18H16ClN5O5 MolecularWeight: 417.80314

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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=C(C=C2)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O5/c1-10(8-16(25)21-12-4-2-11(3-5-12)17(20)26)22-23-18(27)14-7-6-13(24(28)29)9-15(14)19/h2-7,9H,8H2,1H3,(H2,20,26)(H,21,25)(H,23,27)/b22-10+