methyl 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]prop-1-enyl]benzoic acid methyl ester Formula: C20H15N3O7 MolecularWeight: 409.349

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C20H15N3O7/c1-28-20(25)13-4-2-12(3-5-13)8-14(11-21)19(24)22-15-9-17-18(30-7-6-29-17)10-16(15)23(26)27/h2-5,8-10H,6-7H2,1H3,(H,22,24)/b14-8+