N-(4-acetamido-3-methyl-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(4-acetamido-3-methylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)NC(=O)C

InChI

InChI=1S/C20H20N4O6/c1-12-10-14(5-7-16(12)21-13(2)25)22-19(26)4-3-9-23-17-8-6-15(24(28)29)11-18(17)30-20(23)27/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,25)(H,22,26)