2-azanylethanol; (E)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 2-azanylethanol; (E)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 2-aminoethanol; (E)-4-(4-nitroanilino)-4-oxo-but-2-enoic acid CAS Name: 2-aminoethanol; (E)-4-(4-nitroanilino)-4-oxo-2-butenoic acid IUPAC Name: 2-aminoethanol; (E)-4-(4-nitroanilino)-4-oxobut-2-enoic acid Traditional Name: 2-aminoethanol; (E)-4-keto-4-(4-nitroanilino)but-2-enoic acid Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C=CC(=O)O)[N+](=O)[O-].C(CO)N

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)[N+](=O)[O-].C(CO)N

InChI

InChI=1S/C10H8N2O5.C2H7NO/c13-9(5-6-10(14)15)11-7-1-3-8(4-2-7)12(16)17;3-1-2-4/h1-6H,(H,11,13)(H,14,15);4H,1-3H2/b6-5+;