4-(1-methoxypropan-2-ylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(1-methoxypropan-2-ylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2-methoxy-1-methyl-ethyl)amino]-3-nitro-benzonitrile CAS Name: 4-(1-methoxypropan-2-ylamino)-3-nitrobenzonitrile IUPAC Name: 4-(1-methoxypropan-2-ylamino)-3-nitrobenzonitrile Traditional Name: 4-[(2-methoxy-1-methyl-ethyl)amino]-3-nitro-benzonitrile Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O3/c1-8(7-17-2)13-10-4-3-9(6-12)5-11(10)14(15)16/h3-5,8,13H,7H2,1-2H3