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

Systemtic Name: 4-[[(2S)-3-methylbutan-2-yl]amino]-3-nitro-chromen-2-one Openeye Name: 4-[[(1S)-1,2-dimethylpropyl]amino]-3-nitro-chromen-2-one CAS Name: 4-[[(2S)-3-methylbutan-2-yl]amino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[[(2S)-3-methylbutan-2-yl]amino]-3-nitrochromen-2-one Traditional Name: 4-[[(1S)-1,2-dimethylpropyl]amino]-3-nitro-coumarin Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-8(2)9(3)15-12-10-6-4-5-7-11(10)20-14(17)13(12)16(18)19/h4-9,15H,1-3H3/t9-/m0/s1