(E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; ethenylbenzene; prop-2-enenitrile

Systemtic Name: (E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; ethenylbenzene; prop-2-enenitrile Openeye Name: (E)-4-amino-4-oxo-but-2-enoic acid; prop-2-enenitrile; styrene CAS Name: (E)-4-amino-4-oxo-2-butenoic acid; 2-propenenitrile; styrene IUPAC Name: (E)-4-amino-4-oxobut-2-enoic acid; prop-2-enenitrile; styrene Traditional Name: acrylonitrile; (E)-4-amino-4-keto-but-2-enoic acid; styrene Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

C=CC#N.C=CC1=CC=CC=C1.C(=CC(=O)O)C(=O)N

Isomeric SMILES

C=CC#N.C=CC1=CC=CC=C1.C(=C/C(=O)O)\C(=O)N

InChI

InChI=1S/C8H8.C4H5NO3.C3H3N/c1-2-8-6-4-3-5-7-8;5-3(6)1-2-4(7)8;1-2-3-4/h2-7H,1H2;1-2H,(H2,5,6)(H,7,8);2H,1H2/b;2-1+;