2-[(3-ethoxycarbonyl-7,8-dimethyl-quinolin-4-yl)amino]-4-nitro-phenolate

Systemtic Name: 2-[(3-ethoxycarbonyl-7,8-dimethyl-quinolin-4-yl)amino]-4-nitro-phenolate Openeye Name: 2-[(3-ethoxycarbonyl-7,8-dimethyl-4-quinolyl)amino]-4-nitro-phenolate CAS Name: 2-[(3-ethoxycarbonyl-7,8-dimethyl-4-quinolinyl)amino]-4-nitrophenolate IUPAC Name: 2-[(3-ethoxycarbonyl-7,8-dimethylquinolin-4-yl)amino]-4-nitrophenolate Traditional Name: 2-[(3-carbethoxy-7,8-dimethyl-4-quinolyl)amino]-4-nitro-phenolate Formula: C20H18N3O5- MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C(C=CC2=C1NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C)C

InChI

InChI=1S/C20H19N3O5/c1-4-28-20(25)15-10-21-18-12(3)11(2)5-7-14(18)19(15)22-16-9-13(23(26)27)6-8-17(16)24/h5-10,24H,4H2,1-3H3,(H,21,22)/p-1