2-[(1R,5R,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]ethanoic acid; (1R)-1-phenylethanamine

Systemtic Name: 2-[(1R,5R,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]ethanoic acid; (1R)-1-phenylethanamine Openeye Name: 2-[(1R,5R,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid; (1R)-1-phenylethanamine CAS Name: 2-[(1R,5R,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid; (1R)-1-phenylethanamine IUPAC Name: 2-[(1R,5R,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid; (1R)-1-phenylethanamine Traditional Name: 2-[(1R,5R,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid; [(1R)-1-phenylethyl]amine Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.C1CC2CC(C2C1)(CC(=O)O)C[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N.C1C[C@@H]2C[C@@]([C@@H]2C1)(CC(=O)O)C[N+](=O)[O-]

InChI

InChI=1S/C10H15NO4.C8H11N/c12-9(13)5-10(6-11(14)15)4-7-2-1-3-8(7)10;1-7(9)8-5-3-2-4-6-8/h7-8H,1-6H2,(H,12,13);2-7H,9H2,1H3/t7-,8-,10-;7-/m11/s1