[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7/c19-15(17-10-5-6-13-14(7-10)25-9-24-13)8-23-16(20)11-3-1-2-4-12(11)18(21)22/h1-7H,8-9H2,(H,17,19)