(Z)-3-nitro-4-[(phenylmethyl)amino]but-3-en-2-one

Systemtic Name: (Z)-3-nitro-4-[(phenylmethyl)amino]but-3-en-2-one Openeye Name: (Z)-4-(benzylamino)-3-nitro-but-3-en-2-one CAS Name: (Z)-3-nitro-4-[(phenylmethyl)amino]-3-buten-2-one IUPAC Name: (Z)-4-(benzylamino)-3-nitrobut-3-en-2-one Traditional Name: (Z)-4-(benzylamino)-3-nitro-but-3-en-2-one Formula: C11H12N2O3 MolecularWeight: 220.22458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CNCC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C/NCC1=CC=CC=C1)/[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O3/c1-9(14)11(13(15)16)8-12-7-10-5-3-2-4-6-10/h2-6,8,12H,7H2,1H3/b11-8-