2-[(3-azanyl-4-sulfo-phenyl)carbamoyl]prop-2-enoic acid

Systemtic Name: 2-[(3-azanyl-4-sulfo-phenyl)carbamoyl]prop-2-enoic acid Openeye Name: 2-[(3-amino-4-sulfo-phenyl)carbamoyl]prop-2-enoic acid CAS Name: 2-[(3-amino-4-sulfoanilino)-oxomethyl]-2-propenoic acid IUPAC Name: 2-[(3-amino-4-sulfophenyl)carbamoyl]prop-2-enoic acid Traditional Name: 2-[(3-amino-4-sulfo-phenyl)carbamoyl]acrylic acid Formula: C10H10N2O6S MolecularWeight: 286.2612

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N)C(=O)O

Isomeric SMILES

C=C(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N)C(=O)O

InChI

InChI=1S/C10H10N2O6S/c1-5(10(14)15)9(13)12-6-2-3-8(7(11)4-6)19(16,17)18/h2-4H,1,11H2,(H,12,13)(H,14,15)(H,16,17,18)