N-[(4-acetamidophenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(4-acetamidophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(4-acetamidobenzyl)-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:

CC(=O)NC1=CC=C(C=C1)CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H20N4O6/c1-13(25)22-15-6-4-14(5-7-15)12-21-19(26)3-2-10-23-17-9-8-16(24(28)29)11-18(17)30-20(23)27/h4-9,11H,2-3,10,12H2,1H3,(H,21,26)(H,22,25)