N-[(E)-[4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-3-azanyl-5-nitro-benzamide

Systemtic Name: N-[(E)-[4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-3-azanyl-5-nitro-benzamide Openeye Name: N-[(E)-[3-(4-acetamidoanilino)-1-methyl-3-oxo-propylidene]amino]-3-amino-5-nitro-benzamide CAS Name: N-[(E)-[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-3-amino-5-nitrobenzamide IUPAC Name: N-[(E)-[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-3-amino-5-nitrobenzamide Traditional Name: N-[(E)-[3-(4-acetamidoanilino)-3-keto-1-methyl-propylidene]amino]-3-amino-5-nitro-benzamide Formula: C19H20N6O5 MolecularWeight: 412.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])N)CC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O5/c1-11(7-18(27)22-16-5-3-15(4-6-16)21-12(2)26)23-24-19(28)13-8-14(20)10-17(9-13)25(29)30/h3-6,8-10H,7,20H2,1-2H3,(H,21,26)(H,22,27)(H,24,28)/b23-11+