[(8-nitropyren-1-yl)amino] ethanoate

Systemtic Name: [(8-nitropyren-1-yl)amino] ethanoate Openeye Name: [(8-nitropyren-1-yl)amino] acetate CAS Name: acetic acid [(8-nitro-1-pyrenyl)amino] ester IUPAC Name: [(8-nitropyren-1-yl)amino] acetate Traditional Name: acetic acid [(8-nitropyren-1-yl)amino] ester Formula: C18H12N2O4 MolecularWeight: 320.29888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ONC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)ONC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O4/c1-10(21)24-19-15-8-4-11-2-3-12-5-9-16(20(22)23)14-7-6-13(15)17(11)18(12)14/h2-9,19H,1H3