2-[[(E)-[(2R)-2-ethoxy-6-nitro-4-oxidanylidene-chromen-3-ylidene]methyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-[(2R)-2-ethoxy-6-nitro-4-oxidanylidene-chromen-3-ylidene]methyl]amino]benzoic acid Openeye Name: 2-[[(E)-[(2R)-2-ethoxy-6-nitro-4-oxo-chroman-3-ylidene]methyl]amino]benzoic acid CAS Name: 2-[[(E)-[(2R)-2-ethoxy-6-nitro-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl]amino]benzoic acid IUPAC Name: 2-[[(E)-[(2R)-2-ethoxy-6-nitro-4-oxochromen-3-ylidene]methyl]amino]benzoic acid Traditional Name: 2-[[(E)-[(2R)-2-ethoxy-4-keto-6-nitro-chroman-3-ylidene]methyl]amino]benzoic acid Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=CNC2=CC=CC=C2C(=O)O)C(=O)C3=C(O1)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCO[C@H]1/C(=C\NC2=CC=CC=C2C(=O)O)/C(=O)C3=C(O1)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O7/c1-2-27-19-14(10-20-15-6-4-3-5-12(15)18(23)24)17(22)13-9-11(21(25)26)7-8-16(13)28-19/h3-10,19-20H,2H2,1H3,(H,23,24)/b14-10-/t19-/m1/s1