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

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(4-acetamido-3-chlorophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C19H17ClN4O6 MolecularWeight: 432.81448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O6/c1-11(25)21-15-6-4-12(9-14(15)20)22-18(26)3-2-8-23-16-7-5-13(24(28)29)10-17(16)30-19(23)27/h4-7,9-10H,2-3,8H2,1H3,(H,21,25)(H,22,26)