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

Systemtic Name: N-[(E)-[4-[(2-acetamidophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-4-methyl-3-nitro-benzamide Openeye Name: N-[(E)-[3-(2-acetamidoanilino)-1-methyl-3-oxo-propylidene]amino]-4-methyl-3-nitro-benzamide CAS Name: N-[(E)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(E)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-4-methyl-3-nitrobenzamide Traditional Name: N-[(E)-[3-(2-acetamidoanilino)-3-keto-1-methyl-propylidene]amino]-4-methyl-3-nitro-benzamide Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN=C(C)CC(=O)NC2=CC=CC=C2NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/N=C(\C)/CC(=O)NC2=CC=CC=C2NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5/c1-12-8-9-15(11-18(12)25(29)30)20(28)24-23-13(2)10-19(27)22-17-7-5-4-6-16(17)21-14(3)26/h4-9,11H,10H2,1-3H3,(H,21,26)(H,22,27)(H,24,28)/b23-13+