4-[[(1S,2R)-1-chloranyl-1-phenyl-propan-2-yl]amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[[(1S,2R)-1-chloranyl-1-phenyl-propan-2-yl]amino]-3-nitro-chromen-2-one Openeye Name: 4-[[(1R,2S)-2-chloro-1-methyl-2-phenyl-ethyl]amino]-3-nitro-chromen-2-one CAS Name: 4-[[(1S,2R)-1-chloro-1-phenylpropan-2-yl]amino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[[(1S,2R)-1-chloro-1-phenylpropan-2-yl]amino]-3-nitrochromen-2-one Traditional Name: 4-[[(1R,2S)-2-chloro-1-methyl-2-phenyl-ethyl]amino]-3-nitro-coumarin Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)Cl)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)Cl)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O4/c1-11(15(19)12-7-3-2-4-8-12)20-16-13-9-5-6-10-14(13)25-18(22)17(16)21(23)24/h2-11,15,20H,1H3/t11-,15-/m1/s1