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

Systemtic Name: 4-[[(2S)-butan-2-yl]amino]-3-nitro-chromen-2-one Openeye Name: 4-[[(1S)-1-methylpropyl]amino]-3-nitro-chromen-2-one CAS Name: 4-[[(2S)-butan-2-yl]amino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[[(2S)-butan-2-yl]amino]-3-nitrochromen-2-one Traditional Name: 4-[[(1S)-1-methylpropyl]amino]-3-nitro-coumarin Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-3-8(2)14-11-9-6-4-5-7-10(9)19-13(16)12(11)15(17)18/h4-8,14H,3H2,1-2H3/t8-/m0/s1