5-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-2-nitro-benzoic acid

Systemtic Name: 5-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-2-nitro-benzoic acid Openeye Name: 5-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-1-yl]-2-nitro-benzoic acid CAS Name: 5-[4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazinyl]-2-nitrobenzoic acid IUPAC Name: 5-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-2-nitrobenzoic acid Traditional Name: 5-[4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperazino]-2-nitro-benzoic acid Formula: C17H19N5O6 MolecularWeight: 389.36266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H19N5O6/c1-11-8-15(19-28-11)18-16(23)10-20-4-6-21(7-5-20)12-2-3-14(22(26)27)13(9-12)17(24)25/h2-3,8-9H,4-7,10H2,1H3,(H,24,25)(H,18,19,23)