2-[(E)-2-[ethanoyl(phenyl)amino]ethenyl]-3-methyl-1,3-benzoxazol-3-ium-5-carboxylic acid

Systemtic Name: 2-[(E)-2-[ethanoyl(phenyl)amino]ethenyl]-3-methyl-1,3-benzoxazol-3-ium-5-carboxylic acid Openeye Name: 2-[(E)-2-(N-acetylanilino)vinyl]-3-methyl-1,3-benzoxazol-3-ium-5-carboxylic acid CAS Name: 2-[(E)-2-(N-acetylanilino)ethenyl]-3-methyl-1,3-benzoxazol-3-ium-5-carboxylic acid IUPAC Name: 2-[(E)-2-(N-acetylanilino)ethenyl]-3-methyl-1,3-benzoxazol-3-ium-5-carboxylic acid Traditional Name: 2-[(E)-2-(N-acetylanilino)vinyl]-3-methyl-1,3-benzoxazol-3-ium-5-carboxylic acid Formula: C19H17N2O4+ MolecularWeight: 337.34928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C=CC1=[N+](C2=C(O1)C=CC(=C2)C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N(/C=C/C1=[N+](C2=C(O1)C=CC(=C2)C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O4/c1-13(22)21(15-6-4-3-5-7-15)11-10-18-20(2)16-12-14(19(23)24)8-9-17(16)25-18/h3-12H,1-2H3/p+1