(3-nitropyren-1-yl) ethanoate

Systemtic Name: (3-nitropyren-1-yl) ethanoate Openeye Name: (3-nitropyren-1-yl) acetate CAS Name: acetic acid (3-nitro-1-pyrenyl) ester IUPAC Name: (3-nitropyren-1-yl) acetate Traditional Name: acetic acid (3-nitropyren-1-yl) ester Formula: C18H11NO4 MolecularWeight: 305.28424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C(=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H11NO4/c1-10(20)23-16-9-15(19(21)22)13-7-5-11-3-2-4-12-6-8-14(16)18(13)17(11)12/h2-9H,1H3