quinolin-8-ylmethyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: quinolin-8-ylmethyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: 8-quinolylmethyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid 8-quinolylmethyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)N=CC=C2

InChI

InChI=1S/C21H17N3O6/c25-19(29-13-15-5-1-4-14-6-2-10-22-20(14)15)7-3-11-23-17-9-8-16(24(27)28)12-18(17)30-21(23)26/h1-2,4-6,8-10,12H,3,7,11,13H2