4-methylbenzaldehyde; 1-nitropiperazine

Systemtic Name: 4-methylbenzaldehyde; 1-nitropiperazine Openeye Name: 4-methylbenzaldehyde; 1-nitropiperazine CAS Name: 4-methylbenzaldehyde; 1-nitropiperazine IUPAC Name: 4-methylbenzaldehyde; 1-nitropiperazine Traditional Name: 4-methylbenzaldehyde; 1-nitropiperazine Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=O.C1CN(CCN1)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C=O.C1CN(CCN1)[N+](=O)[O-]

InChI

InChI=1S/C8H8O.C4H9N3O2/c1-7-2-4-8(6-9)5-3-7;8-7(9)6-3-1-5-2-4-6/h2-6H,1H3;5H,1-4H2