4-nitrobenzaldehyde; 2-phenylethanamine

Systemtic Name: 4-nitrobenzaldehyde; 2-phenylethanamine Openeye Name: 4-nitrobenzaldehyde; 2-phenylethanamine CAS Name: 4-nitrobenzaldehyde; 2-phenylethanamine IUPAC Name: 4-nitrobenzaldehyde; 2-phenylethanamine Traditional Name: 4-nitrobenzaldehyde; phenethylamine Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C1=CC(=CC=C1C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN.C1=CC(=CC=C1C=O)[N+](=O)[O-]

InChI

InChI=1S/C8H11N.C7H5NO3/c9-7-6-8-4-2-1-3-5-8;9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,6-7,9H2;1-5H