4-nitro-6-[[[(2R)-1-oxidanylbutan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-nitro-6-[[[(2R)-1-oxidanylbutan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(1R)-1-(hydroxymethyl)propyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-1-hydroxybutan-2-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-1-hydroxybutan-2-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(1R)-1-methylolpropyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC=C1C=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](CO)NC=C1C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4/c1-2-9(7-14)12-6-8-5-10(13(16)17)3-4-11(8)15/h3-6,9,12,14H,2,7H2,1H3/t9-/m1/s1