4-[[(2S)-2-ethylhexyl]amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[[(2S)-2-ethylhexyl]amino]-3-nitro-chromen-2-one Openeye Name: 4-[[(2S)-2-ethylhexyl]amino]-3-nitro-chromen-2-one CAS Name: 4-[[(2S)-2-ethylhexyl]amino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[[(2S)-2-ethylhexyl]amino]-3-nitrochromen-2-one Traditional Name: 4-[[(2S)-2-ethylhexyl]amino]-3-nitro-coumarin Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)CNC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O4/c1-3-5-8-12(4-2)11-18-15-13-9-6-7-10-14(13)23-17(20)16(15)19(21)22/h6-7,9-10,12,18H,3-5,8,11H2,1-2H3/t12-/m0/s1