3-nitro-4-[(2-oxidanyl-2-phenyl-ethyl)amino]chromen-2-one

Systemtic Name: 3-nitro-4-[(2-oxidanyl-2-phenyl-ethyl)amino]chromen-2-one Openeye Name: 4-[(2-hydroxy-2-phenyl-ethyl)amino]-3-nitro-chromen-2-one CAS Name: 4-[(2-hydroxy-2-phenylethyl)amino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[(2-hydroxy-2-phenylethyl)amino]-3-nitrochromen-2-one Traditional Name: 4-[(2-hydroxy-2-phenyl-ethyl)amino]-3-nitro-coumarin Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N2O5/c20-13(11-6-2-1-3-7-11)10-18-15-12-8-4-5-9-14(12)24-17(21)16(15)19(22)23/h1-9,13,18,20H,10H2