sodium 2-[(4-azanyl-2-oxidanyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: sodium 2-[(4-azanyl-2-oxidanyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: sodium 2-[(4-amino-2-hydroxy-benzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: sodium 2-[[(4-amino-2-hydroxyphenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: sodium 2-[(4-amino-2-hydroxybenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: sodium 2-[(4-amino-2-hydroxy-benzoyl)amino]-3-(1H-indol-3-yl)propionate Formula: C18H16N3NaO4 MolecularWeight: 361.32711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=C(C=C(C=C3)N)O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C3=C(C=C(C=C3)N)O.[Na+]

InChI

InChI=1S/C18H17N3O4.Na/c19-11-5-6-13(16(22)8-11)17(23)21-15(18(24)25)7-10-9-20-14-4-2-1-3-12(10)14;/h1-6,8-9,15,20,22H,7,19H2,(H,21,23)(H,24,25);/q;+1/p-1