4-[[4-[(2S)-butan-2-yl]phenyl]amino]-3-nitro-benzamide

Systemtic Name: 4-[[4-[(2S)-butan-2-yl]phenyl]amino]-3-nitro-benzamide Openeye Name: 4-[4-[(1S)-1-methylpropyl]anilino]-3-nitro-benzamide CAS Name: 4-[4-[(2S)-butan-2-yl]anilino]-3-nitrobenzamide IUPAC Name: 4-[4-[(2S)-butan-2-yl]anilino]-3-nitrobenzamide Traditional Name: 4-[4-[(1S)-1-methylpropyl]anilino]-3-nitro-benzamide Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3/c1-3-11(2)12-4-7-14(8-5-12)19-15-9-6-13(17(18)21)10-16(15)20(22)23/h4-11,19H,3H2,1-2H3,(H2,18,21)/t11-/m0/s1