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

Systemtic Name: 4-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperazino]-3-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=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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