5-[(E)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)prop-1-enyl]indazole-1-carboxylic acid

Systemtic Name: 5-[(E)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)prop-1-enyl]indazole-1-carboxylic acid Openeye Name: 5-[(E)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-prop-1-enyl]indazole-1-carboxylic acid CAS Name: 5-[(E)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]-1-indazolecarboxylic acid IUPAC Name: 5-[(E)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]indazole-1-carboxylic acid Traditional Name: 5-[(E)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-prop-1-enyl]indazole-1-carboxylic acid Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC2=C(C=C1)N(N=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C(=C\C1=CC2=C(C=C1)N(N=C2)C(=O)O)/NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O6/c1-28-18(24)16(22-19(25)29-12-13-5-3-2-4-6-13)10-14-7-8-17-15(9-14)11-21-23(17)20(26)27/h2-11H,12H2,1H3,(H,22,25)(H,26,27)/b16-10+