sodium 2-[[(E)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-but-2-en-2-yl]amino]ethanoic acid

Systemtic Name: sodium 2-[[(E)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-but-2-en-2-yl]amino]ethanoic acid Openeye Name: sodium 2-[[(E)-1-methyl-3-(4-nitroanilino)-3-oxo-prop-1-enyl]amino]acetic acid CAS Name: sodium 2-[[(E)-4-(4-nitroanilino)-4-oxobut-2-en-2-yl]amino]acetic acid IUPAC Name: sodium 2-[[(E)-4-(4-nitroanilino)-4-oxobut-2-en-2-yl]amino]acetic acid Traditional Name: sodium 2-[[(E)-3-keto-1-methyl-3-(4-nitroanilino)prop-1-enyl]amino]acetic acid Formula: C12H13N3NaO5+ MolecularWeight: 302.23849

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NCC(=O)O.[Na+]

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])/NCC(=O)O.[Na+]

InChI

InChI=1S/C12H13N3O5.Na/c1-8(13-7-12(17)18)6-11(16)14-9-2-4-10(5-3-9)15(19)20;/h2-6,13H,7H2,1H3,(H,14,16)(H,17,18);/q;+1/b8-6+;