methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H14N2O8 MolecularWeight: 374.30166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O8/c1-24-17(21)10-2-4-13(12(6-10)19(22)23)25-8-16(20)18-11-3-5-14-15(7-11)27-9-26-14/h2-7H,8-9H2,1H3,(H,18,20)