4-[4-[(2-oxidanylidenechromen-3-yl)carbonylamino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[(2-oxidanylidenechromen-3-yl)carbonylamino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[(2-oxochromene-3-carbonyl)amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(2-oxochromene-3-carbonyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[(2-ketochromene-3-carbonyl)amino]pyrazol-1-yl]butyrate Formula: C17H14N3O5- MolecularWeight: 340.31016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CN(N=C3)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CN(N=C3)CCCC(=O)[O-]

InChI

InChI=1S/C17H15N3O5/c21-15(22)6-3-7-20-10-12(9-18-20)19-16(23)13-8-11-4-1-2-5-14(11)25-17(13)24/h1-2,4-5,8-10H,3,6-7H2,(H,19,23)(H,21,22)/p-1